(3S,4S)-4-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol

C5H10FNO2 — CID 131080983

IUPAC(3S,4S)-4-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol
SMILESOC[C@@]1(F)CNC[C@@H]1O
InChIInChI=1S/C5H10FNO2/c6-5(3-8)2-7-1-4(5)9/h4,7-9H,1-3H2/t4-,5-/m0/s1
InChIKeyKIBSBPWGLWQQFS-WHFBIAKZSA-N
MW135.14 g/mol
LogP-1.35
Rot. Bonds1

About (3S,4S)-4-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol

(3S,4S)-4-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 131080983) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is (3S,4S)-4-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID131080983
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Name(3S,4S)-4-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol
SMILESOC[C@@]1(F)CNC[C@@H]1O
InChIInChI=1S/C5H10FNO2/c6-5(3-8)2-7-1-4(5)9/h4,7-9H,1-3H2/t4-,5-/m0/s1
InChIKeyKIBSBPWGLWQQFS-WHFBIAKZSA-N
XLogP-1.35
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol (CID 131080983) is (3S,4S)-4-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol is OC[C@@]1(F)CNC[C@@H]1O.
What is the InChIKey of (3S,4S)-4-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is KIBSBPWGLWQQFS-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H10FNO2/c6-5(3-8)2-7-1-4(5)9/h4,7-9H,1-3H2/t4-,5-/m0/s1.
What are the key properties of (3S,4S)-4-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol?
(3S,4S)-4-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 135.14 g/mol, XLogP of -1.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 131080983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).